USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 625 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 THR OG1 : rot -170:sc= -0.0682 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -1.21! C(o=-1.2!,f=-1.5!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0.22 USER MOD Single : A 29 TYR OH : rot 180:sc= -0.0632 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.602 X(o=-0.6,f=-0.74) USER MOD Single : A 34 SER OG : rot 180:sc= -1.27! USER MOD Single : A 37 LYS NZ :NH3+ -168:sc= -1.52 (180deg=-2.08) USER MOD Single : A 39 SER OG : rot 90:sc= 1.05 USER MOD Single : A 49 THR OG1 : rot -65:sc= 0.993 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.409 X(o=-0.41,f=0) USER MOD Single : A 70 ASN : amide:sc= -0.0644 X(o=-0.064,f=-0.27) USER MOD Single : A 74 LYS NZ :NH3+ -178:sc= -1.32! (180deg=-1.33!) USER MOD Single : A 76 LYS NZ :NH3+ -132:sc= 1.15 (180deg=-0.021) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -1.91! C(o=-1.9!,f=-4.6!) USER MOD Single : A 90 LYS NZ :NH3+ 156:sc= -0.0263 (180deg=-0.239) USER MOD ----------------------------------------------------------------- ATOM 43 N VAL A 4 -12.010 -0.974 -19.142 1.00 0.00 N ATOM 44 CA VAL A 4 -11.228 -0.801 -17.885 1.00 0.00 C ATOM 45 C VAL A 4 -10.766 0.653 -17.769 1.00 0.00 C ATOM 46 O VAL A 4 -11.138 1.498 -18.558 1.00 0.00 O ATOM 47 CB VAL A 4 -10.007 -1.723 -17.913 1.00 0.00 C ATOM 48 CG1 VAL A 4 -10.462 -3.177 -17.780 1.00 0.00 C ATOM 49 CG2 VAL A 4 -9.262 -1.541 -19.237 1.00 0.00 C ATOM 0 HA VAL A 4 -11.854 -1.053 -17.029 1.00 0.00 H new ATOM 0 HB VAL A 4 -9.344 -1.473 -17.085 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.592 -3.834 -17.800 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -10.993 -3.307 -16.837 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -11.125 -3.428 -18.608 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -8.392 -2.197 -19.258 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -9.925 -1.791 -20.065 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -8.937 -0.505 -19.332 1.00 0.00 H new ATOM 59 N THR A 5 -9.958 0.952 -16.789 1.00 0.00 N ATOM 60 CA THR A 5 -9.473 2.351 -16.623 1.00 0.00 C ATOM 61 C THR A 5 -8.080 2.337 -15.990 1.00 0.00 C ATOM 62 O THR A 5 -7.824 1.616 -15.046 1.00 0.00 O ATOM 63 CB THR A 5 -10.438 3.121 -15.718 1.00 0.00 C ATOM 64 OG1 THR A 5 -11.744 3.076 -16.274 1.00 0.00 O ATOM 65 CG2 THR A 5 -9.980 4.576 -15.602 1.00 0.00 C ATOM 0 H THR A 5 -9.613 0.288 -16.096 1.00 0.00 H new ATOM 0 HA THR A 5 -9.423 2.836 -17.598 1.00 0.00 H new ATOM 0 HB THR A 5 -10.449 2.666 -14.727 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.328 3.694 -15.787 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.668 5.124 -14.957 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.978 4.609 -15.175 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.968 5.034 -16.591 1.00 0.00 H new ATOM 73 N LYS A 6 -7.177 3.127 -16.502 1.00 0.00 N ATOM 74 CA LYS A 6 -5.802 3.157 -15.929 1.00 0.00 C ATOM 75 C LYS A 6 -5.667 4.357 -14.990 1.00 0.00 C ATOM 76 O LYS A 6 -5.983 5.475 -15.346 1.00 0.00 O ATOM 77 CB LYS A 6 -4.781 3.278 -17.062 1.00 0.00 C ATOM 78 CG LYS A 6 -4.730 1.965 -17.846 1.00 0.00 C ATOM 79 CD LYS A 6 -3.884 2.155 -19.107 1.00 0.00 C ATOM 80 CE LYS A 6 -4.221 1.058 -20.118 1.00 0.00 C ATOM 81 NZ LYS A 6 -5.346 1.509 -20.985 1.00 0.00 N ATOM 0 H LYS A 6 -7.332 3.753 -17.292 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.620 2.238 -15.372 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -5.053 4.099 -17.725 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.797 3.510 -16.655 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -4.305 1.175 -17.226 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -5.738 1.651 -18.116 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.075 3.136 -19.542 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.824 2.119 -18.855 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.347 0.830 -20.728 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.495 0.140 -19.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.575 0.763 -21.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.181 1.706 -20.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.068 2.374 -21.492 1.00 0.00 H new ATOM 95 N TYR A 7 -5.198 4.135 -13.792 1.00 0.00 N ATOM 96 CA TYR A 7 -5.043 5.262 -12.831 1.00 0.00 C ATOM 97 C TYR A 7 -3.565 5.645 -12.728 1.00 0.00 C ATOM 98 O TYR A 7 -2.690 4.875 -13.070 1.00 0.00 O ATOM 99 CB TYR A 7 -5.556 4.834 -11.454 1.00 0.00 C ATOM 100 CG TYR A 7 -6.906 5.461 -11.202 1.00 0.00 C ATOM 101 CD1 TYR A 7 -8.015 5.066 -11.960 1.00 0.00 C ATOM 102 CD2 TYR A 7 -7.050 6.438 -10.209 1.00 0.00 C ATOM 103 CE1 TYR A 7 -9.267 5.648 -11.726 1.00 0.00 C ATOM 104 CE2 TYR A 7 -8.303 7.018 -9.974 1.00 0.00 C ATOM 105 CZ TYR A 7 -9.410 6.623 -10.732 1.00 0.00 C ATOM 106 OH TYR A 7 -10.645 7.196 -10.501 1.00 0.00 O ATOM 0 H TYR A 7 -4.916 3.221 -13.438 1.00 0.00 H new ATOM 0 HA TYR A 7 -5.617 6.119 -13.182 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -5.633 3.748 -11.404 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -4.851 5.139 -10.681 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -7.905 4.312 -12.725 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -6.195 6.744 -9.625 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -10.122 5.345 -12.312 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -8.414 7.770 -9.207 1.00 0.00 H new ATOM 0 HH TYR A 7 -10.571 7.853 -9.777 1.00 0.00 H new ATOM 116 N PHE A 8 -3.280 6.829 -12.259 1.00 0.00 N ATOM 117 CA PHE A 8 -1.859 7.259 -12.133 1.00 0.00 C ATOM 118 C PHE A 8 -1.602 7.762 -10.711 1.00 0.00 C ATOM 119 O PHE A 8 -2.512 8.157 -10.009 1.00 0.00 O ATOM 120 CB PHE A 8 -1.577 8.383 -13.131 1.00 0.00 C ATOM 121 CG PHE A 8 -1.167 7.789 -14.457 1.00 0.00 C ATOM 122 CD1 PHE A 8 -2.142 7.302 -15.338 1.00 0.00 C ATOM 123 CD2 PHE A 8 0.187 7.724 -14.807 1.00 0.00 C ATOM 124 CE1 PHE A 8 -1.762 6.752 -16.567 1.00 0.00 C ATOM 125 CE2 PHE A 8 0.566 7.173 -16.038 1.00 0.00 C ATOM 126 CZ PHE A 8 -0.408 6.687 -16.917 1.00 0.00 C ATOM 0 H PHE A 8 -3.970 7.517 -11.958 1.00 0.00 H new ATOM 0 HA PHE A 8 -1.203 6.414 -12.343 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.465 9.003 -13.257 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -0.787 9.031 -12.751 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.187 7.351 -15.068 1.00 0.00 H new ATOM 0 HD2 PHE A 8 0.939 8.098 -14.128 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -2.514 6.377 -17.246 1.00 0.00 H new ATOM 0 HE2 PHE A 8 1.610 7.123 -16.309 1.00 0.00 H new ATOM 0 HZ PHE A 8 -0.115 6.262 -17.866 1.00 0.00 H new ATOM 136 N TYR A 9 -0.370 7.751 -10.282 1.00 0.00 N ATOM 137 CA TYR A 9 -0.057 8.229 -8.906 1.00 0.00 C ATOM 138 C TYR A 9 1.278 8.976 -8.916 1.00 0.00 C ATOM 139 O TYR A 9 2.270 8.487 -9.421 1.00 0.00 O ATOM 140 CB TYR A 9 0.035 7.032 -7.958 1.00 0.00 C ATOM 141 CG TYR A 9 0.604 7.481 -6.633 1.00 0.00 C ATOM 142 CD1 TYR A 9 -0.191 8.211 -5.741 1.00 0.00 C ATOM 143 CD2 TYR A 9 1.926 7.167 -6.297 1.00 0.00 C ATOM 144 CE1 TYR A 9 0.337 8.627 -4.513 1.00 0.00 C ATOM 145 CE2 TYR A 9 2.454 7.583 -5.069 1.00 0.00 C ATOM 146 CZ TYR A 9 1.659 8.313 -4.177 1.00 0.00 C ATOM 147 OH TYR A 9 2.179 8.724 -2.967 1.00 0.00 O ATOM 0 H TYR A 9 0.433 7.432 -10.824 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.846 8.900 -8.567 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -0.952 6.594 -7.812 1.00 0.00 H new ATOM 0 HB3 TYR A 9 0.667 6.258 -8.393 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.211 8.453 -6.000 1.00 0.00 H new ATOM 0 HD2 TYR A 9 2.539 6.604 -6.985 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -0.276 9.190 -3.825 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.474 7.341 -4.810 1.00 0.00 H new ATOM 0 HH TYR A 9 3.108 8.423 -2.891 1.00 0.00 H new ATOM 157 N LYS A 10 1.313 10.157 -8.361 1.00 0.00 N ATOM 158 CA LYS A 10 2.584 10.933 -8.338 1.00 0.00 C ATOM 159 C LYS A 10 3.179 10.893 -6.930 1.00 0.00 C ATOM 160 O LYS A 10 2.699 11.544 -6.023 1.00 0.00 O ATOM 161 CB LYS A 10 2.302 12.384 -8.732 1.00 0.00 C ATOM 162 CG LYS A 10 3.618 13.087 -9.072 1.00 0.00 C ATOM 163 CD LYS A 10 3.464 14.594 -8.857 1.00 0.00 C ATOM 164 CE LYS A 10 2.252 15.100 -9.641 1.00 0.00 C ATOM 165 NZ LYS A 10 2.472 16.521 -10.031 1.00 0.00 N ATOM 0 H LYS A 10 0.516 10.618 -7.922 1.00 0.00 H new ATOM 0 HA LYS A 10 3.290 10.496 -9.044 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.629 12.415 -9.589 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.801 12.903 -7.915 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.421 12.700 -8.445 1.00 0.00 H new ATOM 0 HG3 LYS A 10 3.894 12.883 -10.106 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.340 14.810 -7.796 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.365 15.113 -9.185 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.098 14.487 -10.529 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.351 15.013 -9.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.648 16.866 -10.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.599 17.100 -9.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.323 16.590 -10.625 1.00 0.00 H new ATOM 179 N GLY A 11 4.223 10.133 -6.737 1.00 0.00 N ATOM 180 CA GLY A 11 4.847 10.052 -5.386 1.00 0.00 C ATOM 181 C GLY A 11 5.938 11.117 -5.261 1.00 0.00 C ATOM 182 O GLY A 11 5.870 12.164 -5.874 1.00 0.00 O ATOM 0 H GLY A 11 4.670 9.565 -7.456 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.090 10.200 -4.615 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.272 9.061 -5.229 1.00 0.00 H new ATOM 186 N GLU A 12 6.943 10.860 -4.471 1.00 0.00 N ATOM 187 CA GLU A 12 8.037 11.858 -4.306 1.00 0.00 C ATOM 188 C GLU A 12 8.521 12.318 -5.683 1.00 0.00 C ATOM 189 O GLU A 12 8.606 13.498 -5.958 1.00 0.00 O ATOM 190 CB GLU A 12 9.200 11.219 -3.544 1.00 0.00 C ATOM 191 CG GLU A 12 8.659 10.448 -2.338 1.00 0.00 C ATOM 192 CD GLU A 12 7.858 11.395 -1.445 1.00 0.00 C ATOM 193 OE1 GLU A 12 8.470 12.233 -0.803 1.00 0.00 O ATOM 194 OE2 GLU A 12 6.644 11.266 -1.414 1.00 0.00 O ATOM 0 H GLU A 12 7.054 10.001 -3.932 1.00 0.00 H new ATOM 0 HA GLU A 12 7.664 12.716 -3.747 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.753 10.547 -4.200 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.898 11.988 -3.214 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.027 9.625 -2.673 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.482 10.009 -1.774 1.00 0.00 H new ATOM 201 N ASN A 13 8.838 11.395 -6.550 1.00 0.00 N ATOM 202 CA ASN A 13 9.317 11.783 -7.907 1.00 0.00 C ATOM 203 C ASN A 13 8.877 10.727 -8.924 1.00 0.00 C ATOM 204 O ASN A 13 8.372 11.044 -9.983 1.00 0.00 O ATOM 205 CB ASN A 13 10.844 11.880 -7.901 1.00 0.00 C ATOM 206 CG ASN A 13 11.312 12.464 -6.567 1.00 0.00 C ATOM 207 OD1 ASN A 13 11.328 13.666 -6.390 1.00 0.00 O ATOM 208 ND2 ASN A 13 11.697 11.660 -5.616 1.00 0.00 N ATOM 0 H ASN A 13 8.786 10.391 -6.378 1.00 0.00 H new ATOM 0 HA ASN A 13 8.893 12.749 -8.179 1.00 0.00 H new ATOM 0 HB2 ASN A 13 11.282 10.894 -8.052 1.00 0.00 H new ATOM 0 HB3 ASN A 13 11.182 12.509 -8.724 1.00 0.00 H new ATOM 0 HD21 ASN A 13 12.012 12.040 -4.723 1.00 0.00 H new ATOM 0 HD22 ASN A 13 11.684 10.651 -5.765 1.00 0.00 H new ATOM 215 N THR A 14 9.065 9.475 -8.612 1.00 0.00 N ATOM 216 CA THR A 14 8.658 8.401 -9.563 1.00 0.00 C ATOM 217 C THR A 14 7.132 8.291 -9.586 1.00 0.00 C ATOM 218 O THR A 14 6.473 8.448 -8.578 1.00 0.00 O ATOM 219 CB THR A 14 9.259 7.068 -9.113 1.00 0.00 C ATOM 220 OG1 THR A 14 10.676 7.172 -9.088 1.00 0.00 O ATOM 221 CG2 THR A 14 8.844 5.964 -10.087 1.00 0.00 C ATOM 0 H THR A 14 9.482 9.148 -7.741 1.00 0.00 H new ATOM 0 HA THR A 14 9.019 8.644 -10.562 1.00 0.00 H new ATOM 0 HB THR A 14 8.895 6.825 -8.115 1.00 0.00 H new ATOM 0 HG1 THR A 14 11.062 6.319 -8.798 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.273 5.015 -9.765 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.757 5.884 -10.104 1.00 0.00 H new ATOM 0 HG23 THR A 14 9.206 6.206 -11.086 1.00 0.00 H new ATOM 229 N ASP A 15 6.566 8.020 -10.730 1.00 0.00 N ATOM 230 CA ASP A 15 5.084 7.899 -10.818 1.00 0.00 C ATOM 231 C ASP A 15 4.702 6.427 -10.982 1.00 0.00 C ATOM 232 O ASP A 15 5.328 5.692 -11.720 1.00 0.00 O ATOM 233 CB ASP A 15 4.577 8.695 -12.024 1.00 0.00 C ATOM 234 CG ASP A 15 3.179 8.205 -12.408 1.00 0.00 C ATOM 235 OD1 ASP A 15 3.093 7.292 -13.213 1.00 0.00 O ATOM 236 OD2 ASP A 15 2.219 8.752 -11.890 1.00 0.00 O ATOM 0 H ASP A 15 7.066 7.877 -11.607 1.00 0.00 H new ATOM 0 HA ASP A 15 4.633 8.293 -9.907 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.548 9.758 -11.785 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.260 8.575 -12.865 1.00 0.00 H new ATOM 241 N LEU A 16 3.680 5.989 -10.300 1.00 0.00 N ATOM 242 CA LEU A 16 3.262 4.563 -10.417 1.00 0.00 C ATOM 243 C LEU A 16 1.892 4.487 -11.093 1.00 0.00 C ATOM 244 O LEU A 16 1.129 5.432 -11.082 1.00 0.00 O ATOM 245 CB LEU A 16 3.177 3.940 -9.022 1.00 0.00 C ATOM 246 CG LEU A 16 4.586 3.764 -8.455 1.00 0.00 C ATOM 247 CD1 LEU A 16 4.499 3.228 -7.025 1.00 0.00 C ATOM 248 CD2 LEU A 16 5.362 2.771 -9.323 1.00 0.00 C ATOM 0 H LEU A 16 3.116 6.556 -9.667 1.00 0.00 H new ATOM 0 HA LEU A 16 3.993 4.018 -11.014 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.585 4.576 -8.364 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.671 2.976 -9.073 1.00 0.00 H new ATOM 0 HG LEU A 16 5.099 4.726 -8.452 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.504 3.103 -6.622 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.944 3.933 -6.405 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.987 2.266 -7.028 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.367 2.644 -8.921 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.848 1.810 -9.325 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.425 3.151 -10.343 1.00 0.00 H new ATOM 260 N ILE A 17 1.573 3.367 -11.683 1.00 0.00 N ATOM 261 CA ILE A 17 0.254 3.229 -12.360 1.00 0.00 C ATOM 262 C ILE A 17 -0.425 1.938 -11.894 1.00 0.00 C ATOM 263 O ILE A 17 0.226 0.997 -11.488 1.00 0.00 O ATOM 264 CB ILE A 17 0.459 3.180 -13.874 1.00 0.00 C ATOM 265 CG1 ILE A 17 1.509 4.217 -14.280 1.00 0.00 C ATOM 266 CG2 ILE A 17 -0.862 3.491 -14.580 1.00 0.00 C ATOM 267 CD1 ILE A 17 1.698 4.188 -15.797 1.00 0.00 C ATOM 0 H ILE A 17 2.170 2.541 -11.725 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.375 4.083 -12.107 1.00 0.00 H new ATOM 0 HB ILE A 17 0.799 2.185 -14.161 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.195 5.211 -13.961 1.00 0.00 H new ATOM 0 HG13 ILE A 17 2.455 4.006 -13.781 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.715 3.456 -15.659 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.611 2.753 -14.292 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.203 4.486 -14.293 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.446 4.927 -16.085 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.031 3.196 -16.103 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.752 4.420 -16.286 1.00 0.00 H new ATOM 279 N VAL A 18 -1.727 1.888 -11.950 1.00 0.00 N ATOM 280 CA VAL A 18 -2.444 0.657 -11.509 1.00 0.00 C ATOM 281 C VAL A 18 -3.574 0.344 -12.492 1.00 0.00 C ATOM 282 O VAL A 18 -3.782 1.049 -13.459 1.00 0.00 O ATOM 283 CB VAL A 18 -3.029 0.881 -10.114 1.00 0.00 C ATOM 284 CG1 VAL A 18 -2.179 0.144 -9.078 1.00 0.00 C ATOM 285 CG2 VAL A 18 -3.032 2.379 -9.798 1.00 0.00 C ATOM 0 H VAL A 18 -2.325 2.645 -12.281 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.746 -0.180 -11.481 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.050 0.499 -10.083 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.597 0.304 -8.084 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.176 -0.923 -9.302 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.158 0.524 -9.108 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.449 2.540 -8.804 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.011 2.760 -9.830 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.638 2.905 -10.535 1.00 0.00 H new ATOM 295 N PHE A 19 -4.305 -0.711 -12.252 1.00 0.00 N ATOM 296 CA PHE A 19 -5.421 -1.069 -13.172 1.00 0.00 C ATOM 297 C PHE A 19 -6.741 -1.064 -12.397 1.00 0.00 C ATOM 298 O PHE A 19 -6.769 -1.274 -11.201 1.00 0.00 O ATOM 299 CB PHE A 19 -5.175 -2.463 -13.752 1.00 0.00 C ATOM 300 CG PHE A 19 -4.378 -2.343 -15.029 1.00 0.00 C ATOM 301 CD1 PHE A 19 -3.042 -1.926 -14.984 1.00 0.00 C ATOM 302 CD2 PHE A 19 -4.973 -2.651 -16.259 1.00 0.00 C ATOM 303 CE1 PHE A 19 -2.302 -1.815 -16.167 1.00 0.00 C ATOM 304 CE2 PHE A 19 -4.234 -2.540 -17.442 1.00 0.00 C ATOM 305 CZ PHE A 19 -2.898 -2.123 -17.396 1.00 0.00 C ATOM 0 H PHE A 19 -4.177 -1.340 -11.459 1.00 0.00 H new ATOM 0 HA PHE A 19 -5.473 -0.342 -13.983 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.637 -3.079 -13.031 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -6.125 -2.960 -13.949 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.582 -1.690 -14.036 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -6.003 -2.974 -16.294 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -1.272 -1.492 -16.132 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.694 -2.776 -18.390 1.00 0.00 H new ATOM 0 HZ PHE A 19 -2.327 -2.039 -18.309 1.00 0.00 H new ATOM 315 N ALA A 20 -7.834 -0.827 -13.069 1.00 0.00 N ATOM 316 CA ALA A 20 -9.149 -0.809 -12.369 1.00 0.00 C ATOM 317 C ALA A 20 -10.268 -1.073 -13.379 1.00 0.00 C ATOM 318 O ALA A 20 -10.030 -1.208 -14.563 1.00 0.00 O ATOM 319 CB ALA A 20 -9.362 0.558 -11.718 1.00 0.00 C ATOM 0 H ALA A 20 -7.873 -0.645 -14.072 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.162 -1.583 -11.601 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -10.324 0.571 -11.206 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.565 0.746 -10.998 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.349 1.332 -12.485 1.00 0.00 H new ATOM 325 N ALA A 21 -11.488 -1.145 -12.920 1.00 0.00 N ATOM 326 CA ALA A 21 -12.621 -1.399 -13.854 1.00 0.00 C ATOM 327 C ALA A 21 -13.286 -0.071 -14.223 1.00 0.00 C ATOM 328 O ALA A 21 -13.554 0.201 -15.376 1.00 0.00 O ATOM 329 CB ALA A 21 -13.645 -2.312 -13.177 1.00 0.00 C ATOM 0 H ALA A 21 -11.749 -1.039 -11.940 1.00 0.00 H new ATOM 0 HA ALA A 21 -12.246 -1.880 -14.757 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -14.474 -2.498 -13.860 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -13.172 -3.258 -12.915 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -14.020 -1.831 -12.274 1.00 0.00 H new ATOM 335 N SER A 22 -13.554 0.758 -13.252 1.00 0.00 N ATOM 336 CA SER A 22 -14.201 2.067 -13.548 1.00 0.00 C ATOM 337 C SER A 22 -14.192 2.936 -12.288 1.00 0.00 C ATOM 338 O SER A 22 -14.460 2.469 -11.199 1.00 0.00 O ATOM 339 CB SER A 22 -15.644 1.833 -13.996 1.00 0.00 C ATOM 340 OG SER A 22 -16.505 2.712 -13.284 1.00 0.00 O ATOM 0 H SER A 22 -13.353 0.586 -12.267 1.00 0.00 H new ATOM 0 HA SER A 22 -13.652 2.573 -14.342 1.00 0.00 H new ATOM 0 HB2 SER A 22 -15.736 2.004 -15.068 1.00 0.00 H new ATOM 0 HB3 SER A 22 -15.930 0.797 -13.813 1.00 0.00 H new ATOM 0 HG SER A 22 -17.431 2.566 -13.570 1.00 0.00 H new ATOM 346 N GLU A 23 -13.887 4.197 -12.428 1.00 0.00 N ATOM 347 CA GLU A 23 -13.862 5.094 -11.238 1.00 0.00 C ATOM 348 C GLU A 23 -15.157 4.920 -10.442 1.00 0.00 C ATOM 349 O GLU A 23 -15.178 5.059 -9.235 1.00 0.00 O ATOM 350 CB GLU A 23 -13.737 6.548 -11.697 1.00 0.00 C ATOM 351 CG GLU A 23 -14.918 6.901 -12.604 1.00 0.00 C ATOM 352 CD GLU A 23 -14.458 7.880 -13.685 1.00 0.00 C ATOM 353 OE1 GLU A 23 -13.594 8.691 -13.393 1.00 0.00 O ATOM 354 OE2 GLU A 23 -14.976 7.803 -14.787 1.00 0.00 O ATOM 0 H GLU A 23 -13.654 4.645 -13.314 1.00 0.00 H new ATOM 0 HA GLU A 23 -13.010 4.838 -10.608 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -13.717 7.213 -10.833 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -12.798 6.692 -12.232 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -15.320 5.998 -13.064 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -15.722 7.344 -12.016 1.00 0.00 H new ATOM 361 N GLU A 24 -16.238 4.617 -11.107 1.00 0.00 N ATOM 362 CA GLU A 24 -17.529 4.434 -10.386 1.00 0.00 C ATOM 363 C GLU A 24 -17.347 3.406 -9.267 1.00 0.00 C ATOM 364 O GLU A 24 -17.416 3.728 -8.098 1.00 0.00 O ATOM 365 CB GLU A 24 -18.595 3.938 -11.366 1.00 0.00 C ATOM 366 CG GLU A 24 -19.985 4.163 -10.766 1.00 0.00 C ATOM 367 CD GLU A 24 -20.824 2.896 -10.933 1.00 0.00 C ATOM 368 OE1 GLU A 24 -21.138 2.561 -12.063 1.00 0.00 O ATOM 369 OE2 GLU A 24 -21.140 2.280 -9.927 1.00 0.00 O ATOM 0 H GLU A 24 -16.283 4.488 -12.118 1.00 0.00 H new ATOM 0 HA GLU A 24 -17.844 5.386 -9.958 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -18.507 4.468 -12.315 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -18.446 2.879 -11.577 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -19.900 4.419 -9.710 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -20.474 5.003 -11.259 1.00 0.00 H new ATOM 376 N LEU A 25 -17.115 2.170 -9.617 1.00 0.00 N ATOM 377 CA LEU A 25 -16.928 1.123 -8.572 1.00 0.00 C ATOM 378 C LEU A 25 -15.918 1.615 -7.533 1.00 0.00 C ATOM 379 O LEU A 25 -16.149 1.536 -6.343 1.00 0.00 O ATOM 380 CB LEU A 25 -16.408 -0.160 -9.222 1.00 0.00 C ATOM 381 CG LEU A 25 -17.513 -0.783 -10.078 1.00 0.00 C ATOM 382 CD1 LEU A 25 -17.176 -0.602 -11.558 1.00 0.00 C ATOM 383 CD2 LEU A 25 -17.622 -2.276 -9.760 1.00 0.00 C ATOM 0 H LEU A 25 -17.047 1.840 -10.580 1.00 0.00 H new ATOM 0 HA LEU A 25 -17.882 0.921 -8.085 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -15.536 0.060 -9.838 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -16.087 -0.865 -8.455 1.00 0.00 H new ATOM 0 HG LEU A 25 -18.462 -0.293 -9.859 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -17.963 -1.046 -12.167 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -17.097 0.461 -11.786 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -16.227 -1.092 -11.778 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -18.409 -2.721 -10.369 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -16.673 -2.765 -9.979 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -17.862 -2.407 -8.705 1.00 0.00 H new ATOM 395 N VAL A 26 -14.799 2.121 -7.975 1.00 0.00 N ATOM 396 CA VAL A 26 -13.775 2.617 -7.012 1.00 0.00 C ATOM 397 C VAL A 26 -14.435 3.568 -6.012 1.00 0.00 C ATOM 398 O VAL A 26 -14.523 3.284 -4.835 1.00 0.00 O ATOM 399 CB VAL A 26 -12.676 3.359 -7.774 1.00 0.00 C ATOM 400 CG1 VAL A 26 -11.634 3.885 -6.785 1.00 0.00 C ATOM 401 CG2 VAL A 26 -12.004 2.400 -8.759 1.00 0.00 C ATOM 0 H VAL A 26 -14.550 2.212 -8.960 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.339 1.773 -6.477 1.00 0.00 H new ATOM 0 HB VAL A 26 -13.113 4.195 -8.319 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.851 4.414 -7.328 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.112 4.567 -6.082 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.196 3.049 -6.239 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.220 2.927 -9.303 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.567 1.564 -8.212 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.745 2.024 -9.464 1.00 0.00 H new ATOM 411 N ASP A 27 -14.899 4.699 -6.472 1.00 0.00 N ATOM 412 CA ASP A 27 -15.552 5.668 -5.547 1.00 0.00 C ATOM 413 C ASP A 27 -16.348 4.902 -4.488 1.00 0.00 C ATOM 414 O ASP A 27 -16.315 5.226 -3.318 1.00 0.00 O ATOM 415 CB ASP A 27 -16.497 6.572 -6.341 1.00 0.00 C ATOM 416 CG ASP A 27 -17.138 7.592 -5.399 1.00 0.00 C ATOM 417 OD1 ASP A 27 -16.409 8.401 -4.848 1.00 0.00 O ATOM 418 OD2 ASP A 27 -18.347 7.548 -5.244 1.00 0.00 O ATOM 0 H ASP A 27 -14.854 4.993 -7.448 1.00 0.00 H new ATOM 0 HA ASP A 27 -14.791 6.277 -5.060 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -15.948 7.085 -7.131 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -17.268 5.973 -6.826 1.00 0.00 H new ATOM 423 N GLU A 28 -17.065 3.888 -4.890 1.00 0.00 N ATOM 424 CA GLU A 28 -17.862 3.103 -3.906 1.00 0.00 C ATOM 425 C GLU A 28 -16.919 2.442 -2.899 1.00 0.00 C ATOM 426 O GLU A 28 -17.101 2.549 -1.702 1.00 0.00 O ATOM 427 CB GLU A 28 -18.660 2.024 -4.642 1.00 0.00 C ATOM 428 CG GLU A 28 -20.145 2.392 -4.634 1.00 0.00 C ATOM 429 CD GLU A 28 -20.938 1.330 -5.397 1.00 0.00 C ATOM 430 OE1 GLU A 28 -20.733 1.212 -6.593 1.00 0.00 O ATOM 431 OE2 GLU A 28 -21.738 0.653 -4.772 1.00 0.00 O ATOM 0 H GLU A 28 -17.133 3.570 -5.857 1.00 0.00 H new ATOM 0 HA GLU A 28 -18.548 3.767 -3.380 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -18.304 1.929 -5.668 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -18.512 1.056 -4.162 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -20.507 2.464 -3.608 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -20.291 3.370 -5.093 1.00 0.00 H new ATOM 438 N TYR A 29 -15.913 1.760 -3.373 1.00 0.00 N ATOM 439 CA TYR A 29 -14.960 1.094 -2.441 1.00 0.00 C ATOM 440 C TYR A 29 -14.468 2.106 -1.405 1.00 0.00 C ATOM 441 O TYR A 29 -14.488 1.851 -0.217 1.00 0.00 O ATOM 442 CB TYR A 29 -13.767 0.553 -3.232 1.00 0.00 C ATOM 443 CG TYR A 29 -12.740 -0.006 -2.276 1.00 0.00 C ATOM 444 CD1 TYR A 29 -13.036 -1.144 -1.517 1.00 0.00 C ATOM 445 CD2 TYR A 29 -11.493 0.617 -2.147 1.00 0.00 C ATOM 446 CE1 TYR A 29 -12.084 -1.661 -0.631 1.00 0.00 C ATOM 447 CE2 TYR A 29 -10.541 0.100 -1.260 1.00 0.00 C ATOM 448 CZ TYR A 29 -10.836 -1.039 -0.502 1.00 0.00 C ATOM 449 OH TYR A 29 -9.898 -1.549 0.373 1.00 0.00 O ATOM 0 H TYR A 29 -15.710 1.635 -4.365 1.00 0.00 H new ATOM 0 HA TYR A 29 -15.463 0.271 -1.934 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -14.097 -0.223 -3.923 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -13.325 1.348 -3.833 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -13.999 -1.623 -1.615 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -11.265 1.496 -2.732 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -12.312 -2.540 -0.046 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.579 0.580 -1.161 1.00 0.00 H new ATOM 0 HH TYR A 29 -9.087 -1.000 0.340 1.00 0.00 H new ATOM 459 N LEU A 30 -14.026 3.252 -1.845 1.00 0.00 N ATOM 460 CA LEU A 30 -13.534 4.279 -0.884 1.00 0.00 C ATOM 461 C LEU A 30 -14.467 4.332 0.327 1.00 0.00 C ATOM 462 O LEU A 30 -14.047 4.167 1.455 1.00 0.00 O ATOM 463 CB LEU A 30 -13.509 5.647 -1.568 1.00 0.00 C ATOM 464 CG LEU A 30 -12.212 5.796 -2.367 1.00 0.00 C ATOM 465 CD1 LEU A 30 -12.285 7.057 -3.229 1.00 0.00 C ATOM 466 CD2 LEU A 30 -11.031 5.906 -1.401 1.00 0.00 C ATOM 0 H LEU A 30 -13.984 3.521 -2.828 1.00 0.00 H new ATOM 0 HA LEU A 30 -12.528 4.018 -0.557 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -14.369 5.750 -2.229 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -13.582 6.439 -0.823 1.00 0.00 H new ATOM 0 HG LEU A 30 -12.078 4.926 -3.009 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -11.361 7.163 -3.798 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -13.128 6.980 -3.916 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -12.418 7.929 -2.588 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -10.106 6.012 -1.968 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -11.166 6.777 -0.760 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -10.979 5.007 -0.786 1.00 0.00 H new ATOM 478 N LYS A 31 -15.733 4.560 0.103 1.00 0.00 N ATOM 479 CA LYS A 31 -16.692 4.623 1.242 1.00 0.00 C ATOM 480 C LYS A 31 -16.945 3.210 1.772 1.00 0.00 C ATOM 481 O LYS A 31 -17.648 3.020 2.745 1.00 0.00 O ATOM 482 CB LYS A 31 -18.011 5.232 0.763 1.00 0.00 C ATOM 483 CG LYS A 31 -17.976 6.749 0.966 1.00 0.00 C ATOM 484 CD LYS A 31 -19.255 7.369 0.400 1.00 0.00 C ATOM 485 CE LYS A 31 -19.306 7.147 -1.112 1.00 0.00 C ATOM 486 NZ LYS A 31 -20.148 8.204 -1.741 1.00 0.00 N ATOM 0 H LYS A 31 -16.144 4.705 -0.819 1.00 0.00 H new ATOM 0 HA LYS A 31 -16.274 5.240 2.037 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -18.170 4.999 -0.290 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -18.845 4.800 1.315 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -17.884 6.983 2.027 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -17.103 7.173 0.470 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -20.129 6.921 0.873 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -19.284 8.436 0.622 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -18.299 7.173 -1.528 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -19.716 6.161 -1.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -20.183 8.054 -2.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -21.111 8.158 -1.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -19.738 9.139 -1.542 1.00 0.00 H new ATOM 500 N ASN A 32 -16.378 2.218 1.141 1.00 0.00 N ATOM 501 CA ASN A 32 -16.587 0.820 1.611 1.00 0.00 C ATOM 502 C ASN A 32 -15.252 0.074 1.603 1.00 0.00 C ATOM 503 O ASN A 32 -15.034 -0.819 0.809 1.00 0.00 O ATOM 504 CB ASN A 32 -17.573 0.112 0.680 1.00 0.00 C ATOM 505 CG ASN A 32 -18.909 0.858 0.688 1.00 0.00 C ATOM 506 OD1 ASN A 32 -19.014 1.945 0.157 1.00 0.00 O ATOM 507 ND2 ASN A 32 -19.942 0.314 1.271 1.00 0.00 N ATOM 0 H ASN A 32 -15.779 2.316 0.321 1.00 0.00 H new ATOM 0 HA ASN A 32 -16.989 0.833 2.624 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -17.171 0.075 -0.333 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -17.718 -0.919 1.003 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -20.838 0.802 1.281 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -19.854 -0.599 1.717 1.00 0.00 H new ATOM 514 N PRO A 33 -14.366 0.442 2.488 1.00 0.00 N ATOM 515 CA PRO A 33 -13.022 -0.192 2.599 1.00 0.00 C ATOM 516 C PRO A 33 -13.091 -1.592 3.219 1.00 0.00 C ATOM 517 O PRO A 33 -13.718 -1.799 4.238 1.00 0.00 O ATOM 518 CB PRO A 33 -12.245 0.757 3.512 1.00 0.00 C ATOM 519 CG PRO A 33 -13.280 1.459 4.329 1.00 0.00 C ATOM 520 CD PRO A 33 -14.553 1.511 3.481 1.00 0.00 C ATOM 0 HA PRO A 33 -12.560 -0.332 1.622 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -11.549 0.209 4.147 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -11.656 1.466 2.931 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -13.460 0.928 5.264 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.949 2.464 4.591 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -15.443 1.341 4.087 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -14.674 2.483 3.003 1.00 0.00 H new ATOM 528 N SER A 34 -12.453 -2.553 2.610 1.00 0.00 N ATOM 529 CA SER A 34 -12.484 -3.937 3.163 1.00 0.00 C ATOM 530 C SER A 34 -11.720 -4.877 2.229 1.00 0.00 C ATOM 531 O SER A 34 -11.588 -4.623 1.049 1.00 0.00 O ATOM 532 CB SER A 34 -13.934 -4.405 3.283 1.00 0.00 C ATOM 533 OG SER A 34 -14.782 -3.485 2.607 1.00 0.00 O ATOM 0 H SER A 34 -11.911 -2.440 1.753 1.00 0.00 H new ATOM 0 HA SER A 34 -12.017 -3.945 4.148 1.00 0.00 H new ATOM 0 HB2 SER A 34 -14.043 -5.401 2.854 1.00 0.00 H new ATOM 0 HB3 SER A 34 -14.219 -4.477 4.333 1.00 0.00 H new ATOM 0 HG SER A 34 -15.713 -3.783 2.681 1.00 0.00 H new ATOM 539 N ILE A 35 -11.213 -5.962 2.748 1.00 0.00 N ATOM 540 CA ILE A 35 -10.458 -6.917 1.890 1.00 0.00 C ATOM 541 C ILE A 35 -11.436 -7.888 1.224 1.00 0.00 C ATOM 542 O ILE A 35 -11.436 -9.070 1.502 1.00 0.00 O ATOM 543 CB ILE A 35 -9.467 -7.702 2.751 1.00 0.00 C ATOM 544 CG1 ILE A 35 -8.660 -6.729 3.614 1.00 0.00 C ATOM 545 CG2 ILE A 35 -8.515 -8.487 1.845 1.00 0.00 C ATOM 546 CD1 ILE A 35 -7.971 -5.701 2.716 1.00 0.00 C ATOM 0 H ILE A 35 -11.289 -6.228 3.730 1.00 0.00 H new ATOM 0 HA ILE A 35 -9.915 -6.365 1.123 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.012 -8.394 3.393 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.316 -6.226 4.324 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.918 -7.274 4.197 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -7.808 -9.047 2.458 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.088 -9.179 1.228 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.970 -7.795 1.203 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.396 -5.008 3.331 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.302 -6.213 2.024 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.723 -5.148 2.152 1.00 0.00 H new ATOM 558 N GLY A 36 -12.269 -7.397 0.349 1.00 0.00 N ATOM 559 CA GLY A 36 -13.246 -8.293 -0.334 1.00 0.00 C ATOM 560 C GLY A 36 -13.787 -7.601 -1.586 1.00 0.00 C ATOM 561 O GLY A 36 -13.786 -8.160 -2.665 1.00 0.00 O ATOM 0 H GLY A 36 -12.316 -6.415 0.077 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -12.765 -9.233 -0.605 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -14.066 -8.537 0.342 1.00 0.00 H new ATOM 565 N LYS A 37 -14.250 -6.388 -1.452 1.00 0.00 N ATOM 566 CA LYS A 37 -14.791 -5.663 -2.637 1.00 0.00 C ATOM 567 C LYS A 37 -13.632 -5.183 -3.513 1.00 0.00 C ATOM 568 O LYS A 37 -13.779 -4.999 -4.706 1.00 0.00 O ATOM 569 CB LYS A 37 -15.607 -4.458 -2.166 1.00 0.00 C ATOM 570 CG LYS A 37 -15.838 -3.506 -3.341 1.00 0.00 C ATOM 571 CD LYS A 37 -17.166 -2.771 -3.152 1.00 0.00 C ATOM 572 CE LYS A 37 -17.529 -2.030 -4.440 1.00 0.00 C ATOM 573 NZ LYS A 37 -16.302 -1.836 -5.263 1.00 0.00 N ATOM 0 H LYS A 37 -14.277 -5.868 -0.575 1.00 0.00 H new ATOM 0 HA LYS A 37 -15.429 -6.332 -3.214 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -16.563 -4.789 -1.760 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -15.081 -3.941 -1.363 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -15.020 -2.789 -3.407 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -15.849 -4.064 -4.277 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -17.953 -3.480 -2.894 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -17.089 -2.066 -2.324 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -18.271 -2.597 -5.002 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -17.978 -1.065 -4.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -16.502 -1.164 -6.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -15.538 -1.461 -4.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -16.008 -2.748 -5.668 1.00 0.00 H new ATOM 587 N LEU A 38 -12.482 -4.979 -2.933 1.00 0.00 N ATOM 588 CA LEU A 38 -11.315 -4.511 -3.734 1.00 0.00 C ATOM 589 C LEU A 38 -11.035 -5.512 -4.858 1.00 0.00 C ATOM 590 O LEU A 38 -10.606 -5.147 -5.935 1.00 0.00 O ATOM 591 CB LEU A 38 -10.086 -4.401 -2.830 1.00 0.00 C ATOM 592 CG LEU A 38 -9.066 -3.457 -3.468 1.00 0.00 C ATOM 593 CD1 LEU A 38 -9.303 -2.033 -2.963 1.00 0.00 C ATOM 594 CD2 LEU A 38 -7.652 -3.904 -3.088 1.00 0.00 C ATOM 0 H LEU A 38 -12.299 -5.116 -1.939 1.00 0.00 H new ATOM 0 HA LEU A 38 -11.537 -3.534 -4.164 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -10.376 -4.029 -1.847 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.642 -5.385 -2.680 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.177 -3.481 -4.552 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.576 -1.360 -3.418 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -10.310 -1.714 -3.232 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.192 -2.008 -1.879 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.924 -3.232 -3.542 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.542 -3.880 -2.004 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.482 -4.919 -3.447 1.00 0.00 H new ATOM 606 N SER A 39 -11.272 -6.772 -4.616 1.00 0.00 N ATOM 607 CA SER A 39 -11.018 -7.794 -5.670 1.00 0.00 C ATOM 608 C SER A 39 -11.869 -7.479 -6.902 1.00 0.00 C ATOM 609 O SER A 39 -11.446 -7.667 -8.025 1.00 0.00 O ATOM 610 CB SER A 39 -11.387 -9.179 -5.137 1.00 0.00 C ATOM 611 OG SER A 39 -11.347 -9.160 -3.716 1.00 0.00 O ATOM 0 H SER A 39 -11.631 -7.138 -3.734 1.00 0.00 H new ATOM 0 HA SER A 39 -9.963 -7.779 -5.943 1.00 0.00 H new ATOM 0 HB2 SER A 39 -12.382 -9.461 -5.481 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.693 -9.926 -5.522 1.00 0.00 H new ATOM 0 HG SER A 39 -12.226 -8.903 -3.367 1.00 0.00 H new ATOM 617 N GLU A 40 -13.066 -7.000 -6.701 1.00 0.00 N ATOM 618 CA GLU A 40 -13.943 -6.674 -7.861 1.00 0.00 C ATOM 619 C GLU A 40 -13.427 -5.409 -8.550 1.00 0.00 C ATOM 620 O GLU A 40 -13.431 -5.304 -9.760 1.00 0.00 O ATOM 621 CB GLU A 40 -15.373 -6.440 -7.370 1.00 0.00 C ATOM 622 CG GLU A 40 -16.052 -7.787 -7.116 1.00 0.00 C ATOM 623 CD GLU A 40 -17.227 -7.593 -6.155 1.00 0.00 C ATOM 624 OE1 GLU A 40 -16.982 -7.497 -4.963 1.00 0.00 O ATOM 625 OE2 GLU A 40 -18.351 -7.545 -6.626 1.00 0.00 O ATOM 0 H GLU A 40 -13.475 -6.820 -5.784 1.00 0.00 H new ATOM 0 HA GLU A 40 -13.933 -7.503 -8.568 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -15.362 -5.848 -6.455 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -15.935 -5.871 -8.111 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -16.404 -8.212 -8.056 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -15.337 -8.493 -6.695 1.00 0.00 H new ATOM 632 N VAL A 41 -12.981 -4.448 -7.788 1.00 0.00 N ATOM 633 CA VAL A 41 -12.464 -3.190 -8.401 1.00 0.00 C ATOM 634 C VAL A 41 -11.131 -3.471 -9.095 1.00 0.00 C ATOM 635 O VAL A 41 -11.034 -3.447 -10.306 1.00 0.00 O ATOM 636 CB VAL A 41 -12.259 -2.139 -7.309 1.00 0.00 C ATOM 637 CG1 VAL A 41 -11.792 -0.828 -7.944 1.00 0.00 C ATOM 638 CG2 VAL A 41 -13.581 -1.905 -6.573 1.00 0.00 C ATOM 0 H VAL A 41 -12.952 -4.479 -6.769 1.00 0.00 H new ATOM 0 HA VAL A 41 -13.183 -2.820 -9.132 1.00 0.00 H new ATOM 0 HB VAL A 41 -11.506 -2.490 -6.604 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -11.646 -0.079 -7.166 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.852 -0.993 -8.470 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -12.545 -0.477 -8.649 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -13.436 -1.156 -5.794 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -14.333 -1.554 -7.279 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -13.916 -2.839 -6.121 1.00 0.00 H new ATOM 648 N VAL A 42 -10.102 -3.738 -8.338 1.00 0.00 N ATOM 649 CA VAL A 42 -8.776 -4.021 -8.957 1.00 0.00 C ATOM 650 C VAL A 42 -8.795 -5.414 -9.589 1.00 0.00 C ATOM 651 O VAL A 42 -8.960 -6.411 -8.914 1.00 0.00 O ATOM 652 CB VAL A 42 -7.690 -3.964 -7.881 1.00 0.00 C ATOM 653 CG1 VAL A 42 -6.335 -4.304 -8.504 1.00 0.00 C ATOM 654 CG2 VAL A 42 -7.637 -2.556 -7.284 1.00 0.00 C ATOM 0 H VAL A 42 -10.122 -3.772 -7.319 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.567 -3.277 -9.725 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.920 -4.684 -7.096 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.561 -4.263 -7.737 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.372 -5.307 -8.930 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.105 -3.585 -9.290 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.863 -2.515 -6.517 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.408 -1.836 -8.070 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.602 -2.313 -6.839 1.00 0.00 H new ATOM 664 N GLU A 43 -8.629 -5.491 -10.881 1.00 0.00 N ATOM 665 CA GLU A 43 -8.637 -6.819 -11.555 1.00 0.00 C ATOM 666 C GLU A 43 -7.261 -7.471 -11.417 1.00 0.00 C ATOM 667 O GLU A 43 -7.146 -8.658 -11.180 1.00 0.00 O ATOM 668 CB GLU A 43 -8.968 -6.636 -13.039 1.00 0.00 C ATOM 669 CG GLU A 43 -10.341 -5.977 -13.179 1.00 0.00 C ATOM 670 CD GLU A 43 -10.672 -5.797 -14.661 1.00 0.00 C ATOM 671 OE1 GLU A 43 -9.839 -6.146 -15.480 1.00 0.00 O ATOM 672 OE2 GLU A 43 -11.754 -5.310 -14.951 1.00 0.00 O ATOM 0 H GLU A 43 -8.488 -4.691 -11.499 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.389 -7.457 -11.090 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.207 -6.021 -13.519 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.963 -7.601 -13.545 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.102 -6.591 -12.698 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.346 -5.011 -12.675 1.00 0.00 H new ATOM 679 N LEU A 44 -6.214 -6.706 -11.563 1.00 0.00 N ATOM 680 CA LEU A 44 -4.846 -7.283 -11.439 1.00 0.00 C ATOM 681 C LEU A 44 -4.168 -6.727 -10.184 1.00 0.00 C ATOM 682 O LEU A 44 -4.116 -5.531 -9.973 1.00 0.00 O ATOM 683 CB LEU A 44 -4.021 -6.908 -12.672 1.00 0.00 C ATOM 684 CG LEU A 44 -4.174 -7.993 -13.739 1.00 0.00 C ATOM 685 CD1 LEU A 44 -5.623 -8.026 -14.230 1.00 0.00 C ATOM 686 CD2 LEU A 44 -3.245 -7.685 -14.915 1.00 0.00 C ATOM 0 H LEU A 44 -6.247 -5.706 -11.763 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.916 -8.368 -11.364 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.352 -5.947 -13.066 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.971 -6.796 -12.400 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.913 -8.961 -13.312 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.732 -8.799 -14.990 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.286 -8.244 -13.393 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.885 -7.058 -14.657 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.353 -8.458 -15.676 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.507 -6.717 -15.341 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.213 -7.661 -14.566 1.00 0.00 H new ATOM 698 N PHE A 45 -3.649 -7.585 -9.350 1.00 0.00 N ATOM 699 CA PHE A 45 -2.976 -7.104 -8.110 1.00 0.00 C ATOM 700 C PHE A 45 -1.479 -6.933 -8.377 1.00 0.00 C ATOM 701 O PHE A 45 -0.673 -7.763 -8.003 1.00 0.00 O ATOM 702 CB PHE A 45 -3.181 -8.126 -6.990 1.00 0.00 C ATOM 703 CG PHE A 45 -4.402 -7.752 -6.184 1.00 0.00 C ATOM 704 CD1 PHE A 45 -5.679 -8.074 -6.657 1.00 0.00 C ATOM 705 CD2 PHE A 45 -4.256 -7.082 -4.963 1.00 0.00 C ATOM 706 CE1 PHE A 45 -6.811 -7.727 -5.910 1.00 0.00 C ATOM 707 CE2 PHE A 45 -5.389 -6.735 -4.216 1.00 0.00 C ATOM 708 CZ PHE A 45 -6.666 -7.057 -4.689 1.00 0.00 C ATOM 0 H PHE A 45 -3.662 -8.597 -9.473 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.404 -6.147 -7.811 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.302 -9.124 -7.412 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.302 -8.157 -6.346 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.791 -8.590 -7.599 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.271 -6.833 -4.598 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.796 -7.976 -6.276 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.277 -6.218 -3.274 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.539 -6.789 -4.113 1.00 0.00 H new ATOM 718 N GLU A 46 -1.100 -5.865 -9.022 1.00 0.00 N ATOM 719 CA GLU A 46 0.344 -5.643 -9.313 1.00 0.00 C ATOM 720 C GLU A 46 0.568 -4.179 -9.697 1.00 0.00 C ATOM 721 O GLU A 46 -0.349 -3.481 -10.081 1.00 0.00 O ATOM 722 CB GLU A 46 0.775 -6.545 -10.471 1.00 0.00 C ATOM 723 CG GLU A 46 2.302 -6.533 -10.587 1.00 0.00 C ATOM 724 CD GLU A 46 2.748 -7.612 -11.575 1.00 0.00 C ATOM 725 OE1 GLU A 46 2.125 -7.728 -12.617 1.00 0.00 O ATOM 726 OE2 GLU A 46 3.704 -8.305 -11.271 1.00 0.00 O ATOM 0 H GLU A 46 -1.728 -5.136 -9.360 1.00 0.00 H new ATOM 0 HA GLU A 46 0.934 -5.881 -8.428 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.420 -7.562 -10.305 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.326 -6.199 -11.402 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.644 -5.554 -10.923 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.753 -6.710 -9.611 1.00 0.00 H new ATOM 733 N VAL A 47 1.781 -3.707 -9.596 1.00 0.00 N ATOM 734 CA VAL A 47 2.062 -2.289 -9.955 1.00 0.00 C ATOM 735 C VAL A 47 2.950 -2.244 -11.200 1.00 0.00 C ATOM 736 O VAL A 47 3.827 -3.066 -11.378 1.00 0.00 O ATOM 737 CB VAL A 47 2.777 -1.600 -8.792 1.00 0.00 C ATOM 738 CG1 VAL A 47 2.696 -0.083 -8.967 1.00 0.00 C ATOM 739 CG2 VAL A 47 2.106 -1.997 -7.475 1.00 0.00 C ATOM 0 H VAL A 47 2.589 -4.243 -9.280 1.00 0.00 H new ATOM 0 HA VAL A 47 1.124 -1.774 -10.160 1.00 0.00 H new ATOM 0 HB VAL A 47 3.823 -1.908 -8.776 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.206 0.407 -8.137 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.173 0.201 -9.905 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.651 0.226 -8.984 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.615 -1.507 -6.645 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.060 -1.690 -7.492 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.164 -3.078 -7.348 1.00 0.00 H new ATOM 749 N PHE A 48 2.730 -1.291 -12.063 1.00 0.00 N ATOM 750 CA PHE A 48 3.563 -1.196 -13.295 1.00 0.00 C ATOM 751 C PHE A 48 4.124 0.221 -13.423 1.00 0.00 C ATOM 752 O PHE A 48 3.568 1.169 -12.906 1.00 0.00 O ATOM 753 CB PHE A 48 2.701 -1.515 -14.519 1.00 0.00 C ATOM 754 CG PHE A 48 1.979 -2.824 -14.299 1.00 0.00 C ATOM 755 CD1 PHE A 48 2.649 -4.036 -14.505 1.00 0.00 C ATOM 756 CD2 PHE A 48 0.640 -2.823 -13.891 1.00 0.00 C ATOM 757 CE1 PHE A 48 1.979 -5.248 -14.300 1.00 0.00 C ATOM 758 CE2 PHE A 48 -0.030 -4.036 -13.687 1.00 0.00 C ATOM 759 CZ PHE A 48 0.640 -5.248 -13.892 1.00 0.00 C ATOM 0 H PHE A 48 2.010 -0.574 -11.969 1.00 0.00 H new ATOM 0 HA PHE A 48 4.386 -1.909 -13.233 1.00 0.00 H new ATOM 0 HB2 PHE A 48 1.981 -0.714 -14.689 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.325 -1.577 -15.411 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.682 -4.036 -14.822 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.124 -1.887 -13.734 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.495 -6.183 -14.457 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.063 -4.036 -13.372 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.124 -6.183 -13.735 1.00 0.00 H new ATOM 769 N THR A 49 5.224 0.373 -14.110 1.00 0.00 N ATOM 770 CA THR A 49 5.821 1.729 -14.271 1.00 0.00 C ATOM 771 C THR A 49 5.864 2.093 -15.757 1.00 0.00 C ATOM 772 O THR A 49 5.991 1.237 -16.610 1.00 0.00 O ATOM 773 CB THR A 49 7.243 1.731 -13.704 1.00 0.00 C ATOM 774 OG1 THR A 49 8.075 0.913 -14.516 1.00 0.00 O ATOM 775 CG2 THR A 49 7.228 1.185 -12.275 1.00 0.00 C ATOM 0 H THR A 49 5.734 -0.383 -14.566 1.00 0.00 H new ATOM 0 HA THR A 49 5.215 2.459 -13.735 1.00 0.00 H new ATOM 0 HB THR A 49 7.629 2.750 -13.696 1.00 0.00 H new ATOM 0 HG1 THR A 49 7.774 -0.018 -14.459 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.242 1.188 -11.874 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.590 1.812 -11.653 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.842 0.166 -12.279 1.00 0.00 H new ATOM 783 N PRO A 50 5.757 3.358 -16.060 1.00 0.00 N ATOM 784 CA PRO A 50 5.782 3.856 -17.466 1.00 0.00 C ATOM 785 C PRO A 50 7.177 3.759 -18.090 1.00 0.00 C ATOM 786 O PRO A 50 7.983 4.661 -17.975 1.00 0.00 O ATOM 787 CB PRO A 50 5.352 5.319 -17.345 1.00 0.00 C ATOM 788 CG PRO A 50 5.686 5.720 -15.945 1.00 0.00 C ATOM 789 CD PRO A 50 5.600 4.454 -15.092 1.00 0.00 C ATOM 0 HA PRO A 50 5.135 3.266 -18.114 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.877 5.943 -18.068 1.00 0.00 H new ATOM 0 HB3 PRO A 50 4.286 5.432 -17.542 1.00 0.00 H new ATOM 0 HG2 PRO A 50 6.685 6.153 -15.895 1.00 0.00 H new ATOM 0 HG3 PRO A 50 4.991 6.478 -15.583 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.382 4.431 -14.333 1.00 0.00 H new ATOM 0 HD3 PRO A 50 4.646 4.390 -14.569 1.00 0.00 H new ATOM 911 N LEU A 60 5.567 -2.422 -20.737 1.00 0.00 N ATOM 912 CA LEU A 60 5.564 -1.841 -19.365 1.00 0.00 C ATOM 913 C LEU A 60 6.681 -2.480 -18.537 1.00 0.00 C ATOM 914 O LEU A 60 7.296 -3.444 -18.947 1.00 0.00 O ATOM 915 CB LEU A 60 4.214 -2.115 -18.697 1.00 0.00 C ATOM 916 CG LEU A 60 3.321 -0.880 -18.823 1.00 0.00 C ATOM 917 CD1 LEU A 60 1.890 -1.241 -18.419 1.00 0.00 C ATOM 918 CD2 LEU A 60 3.847 0.223 -17.902 1.00 0.00 C ATOM 0 HA LEU A 60 5.727 -0.765 -19.427 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.733 -2.974 -19.165 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.361 -2.365 -17.646 1.00 0.00 H new ATOM 0 HG LEU A 60 3.329 -0.529 -19.855 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.254 -0.361 -18.509 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.515 -2.028 -19.073 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.881 -1.592 -17.387 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.212 1.104 -17.990 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.838 -0.129 -16.870 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.867 0.481 -18.188 1.00 0.00 H new ATOM 930 N GLY A 61 6.948 -1.951 -17.375 1.00 0.00 N ATOM 931 CA GLY A 61 8.025 -2.528 -16.523 1.00 0.00 C ATOM 932 C GLY A 61 7.497 -2.740 -15.103 1.00 0.00 C ATOM 933 O GLY A 61 7.281 -1.800 -14.363 1.00 0.00 O ATOM 0 H GLY A 61 6.467 -1.144 -16.979 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.365 -3.476 -16.941 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.886 -1.860 -16.506 1.00 0.00 H new ATOM 937 N ALA A 62 7.286 -3.968 -14.715 1.00 0.00 N ATOM 938 CA ALA A 62 6.771 -4.239 -13.343 1.00 0.00 C ATOM 939 C ALA A 62 7.655 -3.527 -12.318 1.00 0.00 C ATOM 940 O ALA A 62 8.859 -3.457 -12.463 1.00 0.00 O ATOM 941 CB ALA A 62 6.795 -5.746 -13.078 1.00 0.00 C ATOM 0 H ALA A 62 7.448 -4.795 -15.289 1.00 0.00 H new ATOM 0 HA ALA A 62 5.748 -3.872 -13.259 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.418 -5.945 -12.075 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.166 -6.254 -13.809 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.818 -6.114 -13.161 1.00 0.00 H new ATOM 947 N ALA A 63 7.067 -2.997 -11.280 1.00 0.00 N ATOM 948 CA ALA A 63 7.874 -2.290 -10.245 1.00 0.00 C ATOM 949 C ALA A 63 8.382 -3.301 -9.216 1.00 0.00 C ATOM 950 O ALA A 63 7.691 -4.233 -8.854 1.00 0.00 O ATOM 951 CB ALA A 63 7.003 -1.244 -9.548 1.00 0.00 C ATOM 0 H ALA A 63 6.063 -3.023 -11.104 1.00 0.00 H new ATOM 0 HA ALA A 63 8.723 -1.798 -10.719 1.00 0.00 H new ATOM 0 HB1 ALA A 63 7.592 -0.726 -8.791 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.642 -0.524 -10.282 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.154 -1.735 -9.074 1.00 0.00 H new ATOM 957 N SER A 64 9.585 -3.125 -8.741 1.00 0.00 N ATOM 958 CA SER A 64 10.135 -4.077 -7.735 1.00 0.00 C ATOM 959 C SER A 64 9.747 -3.613 -6.330 1.00 0.00 C ATOM 960 O SER A 64 9.625 -2.433 -6.066 1.00 0.00 O ATOM 961 CB SER A 64 11.659 -4.119 -7.855 1.00 0.00 C ATOM 962 OG SER A 64 12.104 -5.461 -7.708 1.00 0.00 O ATOM 0 H SER A 64 10.210 -2.364 -9.006 1.00 0.00 H new ATOM 0 HA SER A 64 9.728 -5.072 -7.915 1.00 0.00 H new ATOM 0 HB2 SER A 64 11.970 -3.724 -8.822 1.00 0.00 H new ATOM 0 HB3 SER A 64 12.113 -3.487 -7.092 1.00 0.00 H new ATOM 0 HG SER A 64 13.080 -5.492 -7.786 1.00 0.00 H new ATOM 968 N LYS A 65 9.552 -4.533 -5.424 1.00 0.00 N ATOM 969 CA LYS A 65 9.171 -4.145 -4.037 1.00 0.00 C ATOM 970 C LYS A 65 9.990 -2.927 -3.606 1.00 0.00 C ATOM 971 O LYS A 65 9.636 -2.225 -2.679 1.00 0.00 O ATOM 972 CB LYS A 65 9.453 -5.311 -3.087 1.00 0.00 C ATOM 973 CG LYS A 65 8.530 -6.483 -3.428 1.00 0.00 C ATOM 974 CD LYS A 65 9.257 -7.801 -3.155 1.00 0.00 C ATOM 975 CE LYS A 65 8.305 -8.971 -3.411 1.00 0.00 C ATOM 976 NZ LYS A 65 9.074 -10.128 -3.950 1.00 0.00 N ATOM 0 H LYS A 65 9.640 -5.536 -5.585 1.00 0.00 H new ATOM 0 HA LYS A 65 8.110 -3.899 -4.006 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.495 -5.619 -3.172 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.296 -4.999 -2.055 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.619 -6.428 -2.832 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.230 -6.431 -4.475 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.134 -7.885 -3.797 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.612 -7.826 -2.125 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.802 -9.254 -2.486 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.530 -8.675 -4.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.427 -10.924 -4.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.534 -9.854 -4.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.798 -10.415 -3.261 1.00 0.00 H new ATOM 990 N ALA A 66 11.083 -2.669 -4.270 1.00 0.00 N ATOM 991 CA ALA A 66 11.922 -1.495 -3.897 1.00 0.00 C ATOM 992 C ALA A 66 11.170 -0.204 -4.225 1.00 0.00 C ATOM 993 O ALA A 66 10.875 0.592 -3.355 1.00 0.00 O ATOM 994 CB ALA A 66 13.233 -1.536 -4.685 1.00 0.00 C ATOM 0 H ALA A 66 11.431 -3.220 -5.054 1.00 0.00 H new ATOM 0 HA ALA A 66 12.138 -1.527 -2.829 1.00 0.00 H new ATOM 0 HB1 ALA A 66 13.848 -0.678 -4.413 1.00 0.00 H new ATOM 0 HB2 ALA A 66 13.770 -2.455 -4.451 1.00 0.00 H new ATOM 0 HB3 ALA A 66 13.017 -1.504 -5.753 1.00 0.00 H new ATOM 1000 N GLN A 67 10.858 0.011 -5.473 1.00 0.00 N ATOM 1001 CA GLN A 67 10.126 1.252 -5.855 1.00 0.00 C ATOM 1002 C GLN A 67 8.862 1.382 -5.001 1.00 0.00 C ATOM 1003 O GLN A 67 8.452 2.470 -4.646 1.00 0.00 O ATOM 1004 CB GLN A 67 9.736 1.179 -7.333 1.00 0.00 C ATOM 1005 CG GLN A 67 10.999 1.214 -8.196 1.00 0.00 C ATOM 1006 CD GLN A 67 10.607 1.366 -9.668 1.00 0.00 C ATOM 1007 OE1 GLN A 67 10.877 0.497 -10.472 1.00 0.00 O ATOM 1008 NE2 GLN A 67 9.978 2.442 -10.055 1.00 0.00 N ATOM 0 H GLN A 67 11.078 -0.618 -6.245 1.00 0.00 H new ATOM 0 HA GLN A 67 10.767 2.118 -5.690 1.00 0.00 H new ATOM 0 HB2 GLN A 67 9.175 0.265 -7.527 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.084 2.014 -7.590 1.00 0.00 H new ATOM 0 HG2 GLN A 67 11.638 2.043 -7.891 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.575 0.299 -8.054 1.00 0.00 H new ATOM 0 HE21 GLN A 67 9.752 3.171 -9.379 1.00 0.00 H new ATOM 0 HE22 GLN A 67 9.713 2.554 -11.034 1.00 0.00 H new ATOM 1017 N VAL A 68 8.242 0.283 -4.670 1.00 0.00 N ATOM 1018 CA VAL A 68 7.006 0.347 -3.840 1.00 0.00 C ATOM 1019 C VAL A 68 7.375 0.723 -2.404 1.00 0.00 C ATOM 1020 O VAL A 68 6.615 1.364 -1.705 1.00 0.00 O ATOM 1021 CB VAL A 68 6.315 -1.018 -3.850 1.00 0.00 C ATOM 1022 CG1 VAL A 68 5.378 -1.124 -2.645 1.00 0.00 C ATOM 1023 CG2 VAL A 68 5.505 -1.169 -5.139 1.00 0.00 C ATOM 0 H VAL A 68 8.537 -0.656 -4.938 1.00 0.00 H new ATOM 0 HA VAL A 68 6.331 1.099 -4.249 1.00 0.00 H new ATOM 0 HB VAL A 68 7.066 -1.806 -3.797 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.885 -2.096 -2.652 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.954 -1.015 -1.726 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.627 -0.336 -2.698 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.012 -2.141 -5.147 1.00 0.00 H new ATOM 0 HG22 VAL A 68 4.754 -0.381 -5.191 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.171 -1.093 -5.998 1.00 0.00 H new ATOM 1033 N GLU A 69 8.536 0.330 -1.956 1.00 0.00 N ATOM 1034 CA GLU A 69 8.950 0.666 -0.565 1.00 0.00 C ATOM 1035 C GLU A 69 9.199 2.172 -0.457 1.00 0.00 C ATOM 1036 O GLU A 69 8.520 2.873 0.265 1.00 0.00 O ATOM 1037 CB GLU A 69 10.235 -0.089 -0.218 1.00 0.00 C ATOM 1038 CG GLU A 69 9.895 -1.536 0.146 1.00 0.00 C ATOM 1039 CD GLU A 69 11.156 -2.397 0.044 1.00 0.00 C ATOM 1040 OE1 GLU A 69 11.441 -2.867 -1.045 1.00 0.00 O ATOM 1041 OE2 GLU A 69 11.812 -2.572 1.057 1.00 0.00 O ATOM 0 H GLU A 69 9.215 -0.209 -2.493 1.00 0.00 H new ATOM 0 HA GLU A 69 8.160 0.377 0.129 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.922 -0.068 -1.064 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.741 0.397 0.616 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.491 -1.583 1.157 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.125 -1.919 -0.523 1.00 0.00 H new ATOM 1048 N ASN A 70 10.169 2.675 -1.172 1.00 0.00 N ATOM 1049 CA ASN A 70 10.461 4.135 -1.110 1.00 0.00 C ATOM 1050 C ASN A 70 9.146 4.915 -1.046 1.00 0.00 C ATOM 1051 O ASN A 70 9.104 6.045 -0.599 1.00 0.00 O ATOM 1052 CB ASN A 70 11.240 4.552 -2.357 1.00 0.00 C ATOM 1053 CG ASN A 70 12.741 4.406 -2.095 1.00 0.00 C ATOM 1054 OD1 ASN A 70 13.254 4.931 -1.127 1.00 0.00 O ATOM 1055 ND2 ASN A 70 13.470 3.710 -2.923 1.00 0.00 N ATOM 0 H ASN A 70 10.771 2.138 -1.796 1.00 0.00 H new ATOM 0 HA ASN A 70 11.055 4.350 -0.222 1.00 0.00 H new ATOM 0 HB2 ASN A 70 10.947 3.934 -3.205 1.00 0.00 H new ATOM 0 HB3 ASN A 70 11.004 5.584 -2.618 1.00 0.00 H new ATOM 0 HD21 ASN A 70 14.471 3.606 -2.758 1.00 0.00 H new ATOM 0 HD22 ASN A 70 13.039 3.269 -3.736 1.00 0.00 H new ATOM 1062 N GLU A 71 8.071 4.322 -1.487 1.00 0.00 N ATOM 1063 CA GLU A 71 6.760 5.030 -1.451 1.00 0.00 C ATOM 1064 C GLU A 71 6.113 4.835 -0.078 1.00 0.00 C ATOM 1065 O GLU A 71 5.975 5.765 0.691 1.00 0.00 O ATOM 1066 CB GLU A 71 5.843 4.459 -2.537 1.00 0.00 C ATOM 1067 CG GLU A 71 5.572 5.532 -3.595 1.00 0.00 C ATOM 1068 CD GLU A 71 6.881 5.902 -4.294 1.00 0.00 C ATOM 1069 OE1 GLU A 71 7.240 5.219 -5.238 1.00 0.00 O ATOM 1070 OE2 GLU A 71 7.503 6.863 -3.872 1.00 0.00 O ATOM 0 H GLU A 71 8.044 3.377 -1.871 1.00 0.00 H new ATOM 0 HA GLU A 71 6.915 6.094 -1.630 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.308 3.588 -2.999 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.904 4.124 -2.096 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.849 5.165 -4.324 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.134 6.415 -3.129 1.00 0.00 H new ATOM 1077 N PHE A 72 5.715 3.632 0.234 1.00 0.00 N ATOM 1078 CA PHE A 72 5.077 3.380 1.556 1.00 0.00 C ATOM 1079 C PHE A 72 5.967 2.450 2.384 1.00 0.00 C ATOM 1080 O PHE A 72 5.502 1.745 3.257 1.00 0.00 O ATOM 1081 CB PHE A 72 3.710 2.724 1.346 1.00 0.00 C ATOM 1082 CG PHE A 72 2.968 3.449 0.250 1.00 0.00 C ATOM 1083 CD1 PHE A 72 2.264 4.624 0.538 1.00 0.00 C ATOM 1084 CD2 PHE A 72 2.982 2.945 -1.057 1.00 0.00 C ATOM 1085 CE1 PHE A 72 1.576 5.297 -0.479 1.00 0.00 C ATOM 1086 CE2 PHE A 72 2.293 3.616 -2.074 1.00 0.00 C ATOM 1087 CZ PHE A 72 1.591 4.792 -1.785 1.00 0.00 C ATOM 0 H PHE A 72 5.804 2.814 -0.369 1.00 0.00 H new ATOM 0 HA PHE A 72 4.950 4.325 2.084 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.835 1.674 1.082 1.00 0.00 H new ATOM 0 HB3 PHE A 72 3.134 2.754 2.271 1.00 0.00 H new ATOM 0 HD1 PHE A 72 2.251 5.012 1.546 1.00 0.00 H new ATOM 0 HD2 PHE A 72 3.525 2.038 -1.280 1.00 0.00 H new ATOM 0 HE1 PHE A 72 1.034 6.204 -0.256 1.00 0.00 H new ATOM 0 HE2 PHE A 72 2.303 3.227 -3.081 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.060 5.310 -2.570 1.00 0.00 H new ATOM 1097 N GLY A 73 7.244 2.442 2.116 1.00 0.00 N ATOM 1098 CA GLY A 73 8.162 1.558 2.887 1.00 0.00 C ATOM 1099 C GLY A 73 7.636 0.122 2.856 1.00 0.00 C ATOM 1100 O GLY A 73 6.819 -0.232 2.030 1.00 0.00 O ATOM 0 H GLY A 73 7.691 3.010 1.396 1.00 0.00 H new ATOM 0 HA2 GLY A 73 9.165 1.598 2.462 1.00 0.00 H new ATOM 0 HA3 GLY A 73 8.239 1.906 3.917 1.00 0.00 H new ATOM 1104 N LYS A 74 8.096 -0.708 3.752 1.00 0.00 N ATOM 1105 CA LYS A 74 7.622 -2.120 3.773 1.00 0.00 C ATOM 1106 C LYS A 74 6.745 -2.345 5.007 1.00 0.00 C ATOM 1107 O LYS A 74 6.077 -1.447 5.477 1.00 0.00 O ATOM 1108 CB LYS A 74 8.827 -3.062 3.825 1.00 0.00 C ATOM 1109 CG LYS A 74 8.489 -4.364 3.098 1.00 0.00 C ATOM 1110 CD LYS A 74 9.503 -5.444 3.484 1.00 0.00 C ATOM 1111 CE LYS A 74 9.297 -6.677 2.602 1.00 0.00 C ATOM 1112 NZ LYS A 74 8.206 -6.411 1.622 1.00 0.00 N ATOM 0 H LYS A 74 8.780 -0.469 4.470 1.00 0.00 H new ATOM 0 HA LYS A 74 7.042 -2.322 2.873 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.692 -2.588 3.361 1.00 0.00 H new ATOM 0 HB3 LYS A 74 9.095 -3.270 4.861 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.481 -4.687 3.359 1.00 0.00 H new ATOM 0 HG3 LYS A 74 8.504 -4.205 2.020 1.00 0.00 H new ATOM 0 HD2 LYS A 74 10.518 -5.064 3.365 1.00 0.00 H new ATOM 0 HD3 LYS A 74 9.384 -5.711 4.534 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.221 -6.920 2.077 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.044 -7.540 3.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 8.043 -7.261 1.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.333 -6.166 2.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.479 -5.620 1.004 1.00 0.00 H new ATOM 1126 N GLY A 75 6.742 -3.540 5.532 1.00 0.00 N ATOM 1127 CA GLY A 75 5.907 -3.822 6.735 1.00 0.00 C ATOM 1128 C GLY A 75 4.433 -3.880 6.332 1.00 0.00 C ATOM 1129 O GLY A 75 3.629 -4.528 6.973 1.00 0.00 O ATOM 0 H GLY A 75 7.280 -4.332 5.181 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.209 -4.767 7.187 1.00 0.00 H new ATOM 0 HA3 GLY A 75 6.059 -3.047 7.486 1.00 0.00 H new ATOM 1133 N LYS A 76 4.070 -3.208 5.274 1.00 0.00 N ATOM 1134 CA LYS A 76 2.647 -3.227 4.830 1.00 0.00 C ATOM 1135 C LYS A 76 2.441 -4.363 3.826 1.00 0.00 C ATOM 1136 O LYS A 76 3.317 -5.173 3.602 1.00 0.00 O ATOM 1137 CB LYS A 76 2.303 -1.891 4.169 1.00 0.00 C ATOM 1138 CG LYS A 76 2.272 -0.788 5.229 1.00 0.00 C ATOM 1139 CD LYS A 76 3.019 0.441 4.709 1.00 0.00 C ATOM 1140 CE LYS A 76 2.905 1.578 5.725 1.00 0.00 C ATOM 1141 NZ LYS A 76 3.796 2.700 5.319 1.00 0.00 N ATOM 0 H LYS A 76 4.697 -2.647 4.698 1.00 0.00 H new ATOM 0 HA LYS A 76 1.998 -3.384 5.692 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.040 -1.652 3.402 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.336 -1.958 3.671 1.00 0.00 H new ATOM 0 HG2 LYS A 76 1.241 -0.526 5.467 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.732 -1.143 6.152 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.067 0.196 4.538 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.604 0.753 3.751 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.873 1.923 5.786 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.181 1.222 6.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 4.356 3.012 6.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 4.435 2.380 4.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.220 3.493 4.972 1.00 0.00 H new ATOM 1155 N LYS A 77 1.287 -4.427 3.220 1.00 0.00 N ATOM 1156 CA LYS A 77 1.025 -5.510 2.231 1.00 0.00 C ATOM 1157 C LYS A 77 0.639 -4.890 0.886 1.00 0.00 C ATOM 1158 O LYS A 77 0.185 -3.764 0.819 1.00 0.00 O ATOM 1159 CB LYS A 77 -0.119 -6.394 2.732 1.00 0.00 C ATOM 1160 CG LYS A 77 -0.120 -6.408 4.262 1.00 0.00 C ATOM 1161 CD LYS A 77 -0.851 -7.657 4.760 1.00 0.00 C ATOM 1162 CE LYS A 77 -1.444 -7.384 6.143 1.00 0.00 C ATOM 1163 NZ LYS A 77 -2.097 -8.622 6.656 1.00 0.00 N ATOM 0 H LYS A 77 0.515 -3.777 3.367 1.00 0.00 H new ATOM 0 HA LYS A 77 1.924 -6.115 2.108 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.072 -6.019 2.360 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.004 -7.408 2.348 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.903 -6.399 4.637 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.608 -5.511 4.644 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.641 -7.931 4.061 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.162 -8.500 4.808 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.661 -7.062 6.829 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.171 -6.574 6.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -2.501 -8.437 7.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -2.855 -8.910 6.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.392 -9.383 6.725 1.00 0.00 H new ATOM 1177 N ILE A 78 0.815 -5.614 -0.185 1.00 0.00 N ATOM 1178 CA ILE A 78 0.458 -5.065 -1.523 1.00 0.00 C ATOM 1179 C ILE A 78 -0.972 -4.523 -1.486 1.00 0.00 C ATOM 1180 O ILE A 78 -1.308 -3.585 -2.182 1.00 0.00 O ATOM 1181 CB ILE A 78 0.556 -6.173 -2.572 1.00 0.00 C ATOM 1182 CG1 ILE A 78 0.273 -5.589 -3.958 1.00 0.00 C ATOM 1183 CG2 ILE A 78 -0.470 -7.264 -2.261 1.00 0.00 C ATOM 1184 CD1 ILE A 78 1.514 -4.855 -4.466 1.00 0.00 C ATOM 0 H ILE A 78 1.191 -6.562 -0.191 1.00 0.00 H new ATOM 0 HA ILE A 78 1.146 -4.260 -1.781 1.00 0.00 H new ATOM 0 HB ILE A 78 1.558 -6.601 -2.554 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.001 -6.385 -4.651 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -0.573 -4.904 -3.910 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -0.400 -8.054 -3.009 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -0.270 -7.681 -1.274 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.472 -6.836 -2.278 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.312 -4.439 -5.453 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.767 -4.049 -3.777 1.00 0.00 H new ATOM 0 HD13 ILE A 78 2.349 -5.553 -4.530 1.00 0.00 H new ATOM 1196 N GLU A 79 -1.817 -5.103 -0.679 1.00 0.00 N ATOM 1197 CA GLU A 79 -3.224 -4.621 -0.600 1.00 0.00 C ATOM 1198 C GLU A 79 -3.244 -3.201 -0.029 1.00 0.00 C ATOM 1199 O GLU A 79 -3.852 -2.307 -0.583 1.00 0.00 O ATOM 1200 CB GLU A 79 -4.031 -5.547 0.311 1.00 0.00 C ATOM 1201 CG GLU A 79 -3.499 -6.975 0.188 1.00 0.00 C ATOM 1202 CD GLU A 79 -4.623 -7.968 0.489 1.00 0.00 C ATOM 1203 OE1 GLU A 79 -4.890 -8.194 1.659 1.00 0.00 O ATOM 1204 OE2 GLU A 79 -5.199 -8.485 -0.455 1.00 0.00 O ATOM 0 H GLU A 79 -1.593 -5.891 -0.071 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.664 -4.619 -1.597 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.960 -5.209 1.345 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.085 -5.516 0.037 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.110 -7.144 -0.816 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.671 -7.126 0.880 1.00 0.00 H new ATOM 1211 N GLU A 80 -2.582 -2.986 1.075 1.00 0.00 N ATOM 1212 CA GLU A 80 -2.564 -1.624 1.680 1.00 0.00 C ATOM 1213 C GLU A 80 -2.010 -0.622 0.665 1.00 0.00 C ATOM 1214 O GLU A 80 -2.619 0.390 0.381 1.00 0.00 O ATOM 1215 CB GLU A 80 -1.676 -1.631 2.927 1.00 0.00 C ATOM 1216 CG GLU A 80 -2.538 -1.875 4.166 1.00 0.00 C ATOM 1217 CD GLU A 80 -1.684 -1.706 5.424 1.00 0.00 C ATOM 1218 OE1 GLU A 80 -0.502 -1.999 5.358 1.00 0.00 O ATOM 1219 OE2 GLU A 80 -2.226 -1.286 6.433 1.00 0.00 O ATOM 0 H GLU A 80 -2.053 -3.694 1.584 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.578 -1.337 1.958 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -0.916 -2.408 2.841 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.151 -0.680 3.018 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -3.373 -1.175 4.184 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -2.963 -2.878 4.134 1.00 0.00 H new ATOM 1226 N VAL A 81 -0.858 -0.895 0.116 1.00 0.00 N ATOM 1227 CA VAL A 81 -0.266 0.043 -0.879 1.00 0.00 C ATOM 1228 C VAL A 81 -1.328 0.427 -1.911 1.00 0.00 C ATOM 1229 O VAL A 81 -1.653 1.587 -2.080 1.00 0.00 O ATOM 1230 CB VAL A 81 0.908 -0.638 -1.586 1.00 0.00 C ATOM 1231 CG1 VAL A 81 1.299 0.173 -2.822 1.00 0.00 C ATOM 1232 CG2 VAL A 81 2.100 -0.716 -0.629 1.00 0.00 C ATOM 0 H VAL A 81 -0.301 -1.727 0.313 1.00 0.00 H new ATOM 0 HA VAL A 81 0.087 0.939 -0.369 1.00 0.00 H new ATOM 0 HB VAL A 81 0.617 -1.644 -1.889 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.135 -0.312 -3.326 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.450 0.231 -3.503 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.591 1.179 -2.520 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.938 -1.201 -1.130 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.391 0.290 -0.327 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.822 -1.293 0.253 1.00 0.00 H new ATOM 1242 N ILE A 82 -1.873 -0.535 -2.604 1.00 0.00 N ATOM 1243 CA ILE A 82 -2.913 -0.224 -3.625 1.00 0.00 C ATOM 1244 C ILE A 82 -4.045 0.573 -2.973 1.00 0.00 C ATOM 1245 O ILE A 82 -4.548 1.526 -3.532 1.00 0.00 O ATOM 1246 CB ILE A 82 -3.470 -1.527 -4.198 1.00 0.00 C ATOM 1247 CG1 ILE A 82 -2.334 -2.327 -4.841 1.00 0.00 C ATOM 1248 CG2 ILE A 82 -4.530 -1.209 -5.254 1.00 0.00 C ATOM 1249 CD1 ILE A 82 -2.746 -3.796 -4.957 1.00 0.00 C ATOM 0 H ILE A 82 -1.643 -1.524 -2.507 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.470 0.365 -4.428 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.920 -2.113 -3.397 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.104 -1.924 -5.827 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.428 -2.239 -4.241 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.927 -2.138 -5.662 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.339 -0.639 -4.797 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.081 -0.623 -6.056 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.937 -4.366 -5.415 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.954 -4.195 -3.964 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -3.641 -3.875 -5.575 1.00 0.00 H new ATOM 1261 N ASP A 83 -4.451 0.188 -1.794 1.00 0.00 N ATOM 1262 CA ASP A 83 -5.552 0.922 -1.108 1.00 0.00 C ATOM 1263 C ASP A 83 -5.219 2.415 -1.061 1.00 0.00 C ATOM 1264 O ASP A 83 -6.016 3.251 -1.439 1.00 0.00 O ATOM 1265 CB ASP A 83 -5.710 0.390 0.317 1.00 0.00 C ATOM 1266 CG ASP A 83 -6.804 1.179 1.040 1.00 0.00 C ATOM 1267 OD1 ASP A 83 -7.005 2.330 0.690 1.00 0.00 O ATOM 1268 OD2 ASP A 83 -7.423 0.618 1.929 1.00 0.00 O ATOM 0 H ASP A 83 -4.068 -0.603 -1.276 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.483 0.774 -1.656 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -5.966 -0.669 0.294 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -4.767 0.479 0.856 1.00 0.00 H new ATOM 1273 N LEU A 84 -4.047 2.757 -0.600 1.00 0.00 N ATOM 1274 CA LEU A 84 -3.665 4.195 -0.529 1.00 0.00 C ATOM 1275 C LEU A 84 -3.700 4.804 -1.932 1.00 0.00 C ATOM 1276 O LEU A 84 -4.184 5.900 -2.132 1.00 0.00 O ATOM 1277 CB LEU A 84 -2.252 4.320 0.046 1.00 0.00 C ATOM 1278 CG LEU A 84 -2.328 4.413 1.572 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -0.958 4.091 2.171 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -2.739 5.831 1.975 1.00 0.00 C ATOM 0 H LEU A 84 -3.338 2.103 -0.270 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.368 4.725 0.114 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.651 3.459 -0.247 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.760 5.204 -0.359 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.064 3.700 1.944 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.011 4.157 3.258 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.663 3.082 1.883 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.222 4.804 1.800 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.794 5.899 3.061 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.002 6.543 1.603 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.715 6.062 1.547 1.00 0.00 H new ATOM 1292 N ILE A 85 -3.191 4.102 -2.907 1.00 0.00 N ATOM 1293 CA ILE A 85 -3.197 4.641 -4.297 1.00 0.00 C ATOM 1294 C ILE A 85 -4.591 5.173 -4.631 1.00 0.00 C ATOM 1295 O ILE A 85 -4.775 6.348 -4.880 1.00 0.00 O ATOM 1296 CB ILE A 85 -2.827 3.527 -5.278 1.00 0.00 C ATOM 1297 CG1 ILE A 85 -1.362 3.133 -5.074 1.00 0.00 C ATOM 1298 CG2 ILE A 85 -3.027 4.023 -6.711 1.00 0.00 C ATOM 1299 CD1 ILE A 85 -0.468 4.361 -5.261 1.00 0.00 C ATOM 0 H ILE A 85 -2.771 3.178 -2.802 1.00 0.00 H new ATOM 0 HA ILE A 85 -2.471 5.450 -4.376 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.464 2.660 -5.101 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -1.222 2.718 -4.076 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -1.082 2.355 -5.785 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.764 3.230 -7.411 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.070 4.304 -6.857 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -2.390 4.890 -6.888 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.574 4.078 -5.115 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.599 4.757 -6.268 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -0.742 5.125 -4.533 1.00 0.00 H new ATOM 1311 N LEU A 86 -5.576 4.318 -4.642 1.00 0.00 N ATOM 1312 CA LEU A 86 -6.958 4.775 -4.961 1.00 0.00 C ATOM 1313 C LEU A 86 -7.352 5.910 -4.014 1.00 0.00 C ATOM 1314 O LEU A 86 -8.214 6.711 -4.315 1.00 0.00 O ATOM 1315 CB LEU A 86 -7.934 3.608 -4.794 1.00 0.00 C ATOM 1316 CG LEU A 86 -7.575 2.497 -5.781 1.00 0.00 C ATOM 1317 CD1 LEU A 86 -7.984 1.144 -5.197 1.00 0.00 C ATOM 1318 CD2 LEU A 86 -8.319 2.727 -7.098 1.00 0.00 C ATOM 0 H LEU A 86 -5.484 3.322 -4.444 1.00 0.00 H new ATOM 0 HA LEU A 86 -6.993 5.132 -5.990 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.893 3.229 -3.773 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.955 3.947 -4.967 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.500 2.505 -5.962 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.728 0.352 -5.901 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.457 0.979 -4.257 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.059 1.136 -5.016 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -8.064 1.936 -7.803 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -9.394 2.718 -6.915 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.030 3.692 -7.515 1.00 0.00 H new ATOM 1330 N ARG A 87 -6.728 5.985 -2.871 1.00 0.00 N ATOM 1331 CA ARG A 87 -7.067 7.068 -1.906 1.00 0.00 C ATOM 1332 C ARG A 87 -6.648 8.419 -2.489 1.00 0.00 C ATOM 1333 O ARG A 87 -7.312 9.420 -2.302 1.00 0.00 O ATOM 1334 CB ARG A 87 -6.327 6.829 -0.588 1.00 0.00 C ATOM 1335 CG ARG A 87 -7.044 7.570 0.542 1.00 0.00 C ATOM 1336 CD ARG A 87 -8.092 6.650 1.172 1.00 0.00 C ATOM 1337 NE ARG A 87 -7.409 5.587 1.961 1.00 0.00 N ATOM 1338 CZ ARG A 87 -8.087 4.875 2.819 1.00 0.00 C ATOM 1339 NH1 ARG A 87 -9.362 5.094 2.986 1.00 0.00 N ATOM 1340 NH2 ARG A 87 -7.490 3.943 3.510 1.00 0.00 N ATOM 0 H ARG A 87 -5.998 5.343 -2.564 1.00 0.00 H new ATOM 0 HA ARG A 87 -8.142 7.068 -1.723 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.287 5.762 -0.369 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.297 7.176 -0.669 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.324 7.889 1.296 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -7.521 8.471 0.155 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.757 7.226 1.816 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.711 6.201 0.395 1.00 0.00 H new ATOM 0 HE ARG A 87 -6.412 5.416 1.831 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -9.829 5.822 2.446 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.892 4.537 3.657 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -6.493 3.771 3.380 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -8.020 3.387 4.181 1.00 0.00 H new ATOM 1354 N ASN A 88 -5.550 8.457 -3.193 1.00 0.00 N ATOM 1355 CA ASN A 88 -5.089 9.743 -3.788 1.00 0.00 C ATOM 1356 C ASN A 88 -5.617 9.861 -5.219 1.00 0.00 C ATOM 1357 O ASN A 88 -6.574 10.562 -5.482 1.00 0.00 O ATOM 1358 CB ASN A 88 -3.560 9.779 -3.805 1.00 0.00 C ATOM 1359 CG ASN A 88 -3.017 8.955 -2.635 1.00 0.00 C ATOM 1360 OD1 ASN A 88 -2.884 7.751 -2.734 1.00 0.00 O ATOM 1361 ND2 ASN A 88 -2.694 9.557 -1.523 1.00 0.00 N ATOM 0 H ASN A 88 -4.952 7.653 -3.382 1.00 0.00 H new ATOM 0 HA ASN A 88 -5.465 10.574 -3.191 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.187 9.381 -4.748 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -3.209 10.808 -3.733 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -2.330 9.017 -0.738 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -2.805 10.567 -1.439 1.00 0.00 H new ATOM 1368 N GLY A 89 -5.002 9.181 -6.147 1.00 0.00 N ATOM 1369 CA GLY A 89 -5.469 9.254 -7.560 1.00 0.00 C ATOM 1370 C GLY A 89 -4.911 10.516 -8.219 1.00 0.00 C ATOM 1371 O GLY A 89 -5.012 11.603 -7.686 1.00 0.00 O ATOM 0 H GLY A 89 -4.195 8.577 -5.988 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.142 8.370 -8.108 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.558 9.265 -7.594 1.00 0.00 H new ATOM 1375 N LYS A 90 -4.323 10.381 -9.376 1.00 0.00 N ATOM 1376 CA LYS A 90 -3.759 11.573 -10.070 1.00 0.00 C ATOM 1377 C LYS A 90 -4.380 11.692 -11.463 1.00 0.00 C ATOM 1378 O LYS A 90 -3.719 11.504 -12.465 1.00 0.00 O ATOM 1379 CB LYS A 90 -2.243 11.419 -10.198 1.00 0.00 C ATOM 1380 CG LYS A 90 -1.604 12.795 -10.399 1.00 0.00 C ATOM 1381 CD LYS A 90 -1.274 13.409 -9.038 1.00 0.00 C ATOM 1382 CE LYS A 90 -1.572 14.909 -9.068 1.00 0.00 C ATOM 1383 NZ LYS A 90 -3.047 15.122 -9.065 1.00 0.00 N ATOM 0 H LYS A 90 -4.209 9.496 -9.871 1.00 0.00 H new ATOM 0 HA LYS A 90 -3.985 12.470 -9.494 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.838 10.946 -9.303 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.003 10.769 -11.039 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -0.698 12.703 -10.997 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -2.284 13.446 -10.948 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.862 12.926 -8.257 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -0.225 13.241 -8.796 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.121 15.398 -8.204 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -1.130 15.361 -9.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -3.261 16.066 -8.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -3.410 15.050 -10.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -3.501 14.399 -8.471 1.00 0.00 H new